oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate

C23H22N4O7 — CID 155661853

IUPACoxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
SMILESCOc1cc(NC(=O)Nc2cccc(C(=O)NC(=O)OC3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C23H22N4O7/c1-31-19-10-16(5-6-18(19)20-11-24-13-33-20)26-22(29)25-15-4-2-3-14(9-15)21(28)27-23(30)34-17-7-8-32-12-17/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,25,26,29)(H,27,28,30)
InChIKeyGSCDQFNZGMYRJS-UHFFFAOYSA-N
MW466.45 g/mol
LogP3.65
Rot. Bonds6

About oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate

oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate (PubChem CID 155661853) has the molecular formula C23H22N4O7 and a molecular weight of 466.45 g/mol. Its IUPAC name is oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
PubChem CID155661853
Molecular FormulaC23H22N4O7
Molecular Weight466.45 g/mol
Exact Mass466.15
IUPAC Nameoxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
SMILESCOc1cc(NC(=O)Nc2cccc(C(=O)NC(=O)OC3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C23H22N4O7/c1-31-19-10-16(5-6-18(19)20-11-24-13-33-20)26-22(29)25-15-4-2-3-14(9-15)21(28)27-23(30)34-17-7-8-32-12-17/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,25,26,29)(H,27,28,30)
InChIKeyGSCDQFNZGMYRJS-UHFFFAOYSA-N
XLogP3.65
TPSA141.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91572160
oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 22058490
methane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;phenyl N-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamate
CID 157293080
[(3S)-oxolan-3-yl] N-[(2E,4E)-4-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]-2-methylhepta-2,4,6-trienyl]carbamate
CID 89228093
ethoxy-[[2-(1,3-oxazol-5-yl)-5-[[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamoylamino]phenoxy]methyl]phosphinic acid
CID 89245141
[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]-[(3S)-oxolan-3-yl]methyl] carbamate
CID 126753224
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
cyclopentyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;morpholine
CID 142907089
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
CID 20604859
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate?
The IUPAC name of oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate (CID 155661853) is oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate is COc1cc(NC(=O)Nc2cccc(C(=O)NC(=O)OC3CCOC3)c2)ccc1-c1cnco1.
What is the InChIKey of oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate?
The InChIKey is GSCDQFNZGMYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O7/c1-31-19-10-16(5-6-18(19)20-11-24-13-33-20)26-22(29)25-15-4-2-3-14(9-15)21(28)27-23(30)34-17-7-8-32-12-17/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,25,26,29)(H,27,28,30).
What are the key properties of oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate?
oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate has a molecular weight of 466.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate is sourced from PubChem (CID 155661853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).